2,3-Naphthalenedicarboxylic acid

Inquiry

Molecular Formula:

C12H8O4

Molecular Weight:

216.19

CAS Number:

2169-87-1

Catalog Number:

2169-87-1

Product Information

Molecular Formula:

C12H8O4

Molecular Weight:

216.19

Description

2,3-Naphthalenedicarboxylic acid (CAS# 2169-87-1) is a compound useful in organic synthesis.

Synonyms

naphthalene-2,3-dicarboxylic acid

IUPAC Name

naphthalene-2,3-dicarboxylic acid

Canonical SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)

InChI Key

KHARCSTZAGNHOT-UHFFFAOYSA-N

Boiling Point

316.6 °C (rough estimate)

Melting Point

246 °C

Purity

> 98.0 % (GC) (T)

Density

1.3023 (rou gh estimate)

Appearance

White to almost white powder to crystal

Refractive Index

1.7080 (estimate)

LogP

2.23620

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

2.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

216.04225873 g/mol

Monoisotopic Mass

216.04225873 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

269

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

Volume _(final)

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2,3-Naphthalenedicarboxylic acid

Product Information

Safety Information

Computed Properties

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